![CAS 1523606-26-9 Methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523606-26-9.gif)
CAS RN: 1523606-26-9
Methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate hydrochloride
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251211 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1523606-26-9
- Purity/Analytical Methods: >99.0%
1523606-26-9 / methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
Basic Information
CAS
1523606-26-9
Multi CAS
No
Molecular Formula
C9H16ClNO3
Molecular Weight
221.680000
Exact Mass
221.081871
SMILES
COC(=O)C1CC2COCC(C1)N2.Cl
InChI
InChI=1S/C9H15NO3.ClH/c1-12-9(11)6-2-7-4-13-5-8(3-6)10-7;/h6-8,10H,2-5H2,1H3;1H
InChIKey
OBNNZVYDLXVPRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.52
TPSA
47.56
LogP / Solubility
WLOGP
0.35
MLOGP
0.31
XLogP3
0.35
Consensus LogP
0.34
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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